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2,2-Bis(4-hydroxy-3-cyclohexylphenyl)propane

2,2-Bis(4-hydroxy-3-cyclohexylphenyl)propane

Name: 2,2-Bis(4-hydroxy-3-cyclohexylphenyl)propane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C27H36O2

Molecular Weight:

392.57

CAS Number:

57100-74-0

Catalog Number:

57100-74-0

Product Information

Molecular Formula:

C27H36O2

Molecular Weight:

392.57

Description

2,2-Bis(4-hydroxy-3-cyclohexylphenyl)propane is an instrumental organic compound with notable biomedical implications. Predominantly, synthesis of avant-garde pharmaceutical agents employs this central molecule, targeting a spectrum of pathological conditions, notably cancer, and pathologies of cardiovascular nature.

Synonyms

2,2-Bis(4-hydroxy-3-cyclohexylphenyl)propane||||4,4'-Isopropylidenebis(2-cyclohexylphenol)

IUPAC Name

2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propan-2-yl]phenol

Canonical SMILES

CC(C)(C1=CC(=C(C=C1)O)C2CCCCC2)C3=CC(=C(C=C3)O)C4CCCCC4

InChI

InChI=1S/C27H36O2/c1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20/h13-20,28-29H,3-12H2,1-2H3

InChI Key

WKVWOPDUENJKAR-UHFFFAOYSA-N

Purity

>98.0%(HPLC)

Appearance

White to Almost white powder to crystal

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

9.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

392.271530387 g/mol

Monoisotopic Mass

392.271530387 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

459

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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